Geometry & MOs

Info

ID:	149933
PubChem CID:	53789615
Reduced:	N5O7C22H33 (1)
Stoich.:	A5B7C22D33 (1)
Weight, g/mol:	354.01162
ΔH_f, kcal/mol:	-304.74
Dipole, Da:	10.69
IP(EA), eV:	-9.9(-0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[1-(2-bromophenyl)imidazol-2-yl]amino]-2-hydroxybenzonitrile

Drug info:

PubChemData

Smile

C[C@@H](C(=O)N[C@@H](C(C)C)C(=O)O)NC(=O)CNC(=O)[C@H](COCC1=CC=CC=C1)NC(=O)CN

DOS

IR

Vibrations